(5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol

C9H10F2N2O — CID 99986191

IUPAC(5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol
SMILESO[C@@H]1C[C@H](C(F)F)Cc2ncncc21
InChIInChI=1S/C9H10F2N2O/c10-9(11)5-1-7-6(8(14)2-5)3-12-4-13-7/h3-5,8-9,14H,1-2H2/t5-,8-/m1/s1
InChIKeyNNJXXNSFHZCGDR-SVGQVSJJSA-N
MW200.19 g/mol
LogP1.34
Rot. Bonds1

About (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol

(5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol (PubChem CID 99986191) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol.

Molecular Properties

Compound Name(5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol
PubChem CID99986191
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol
SMILESO[C@@H]1C[C@H](C(F)F)Cc2ncncc21
InChIInChI=1S/C9H10F2N2O/c10-9(11)5-1-7-6(8(14)2-5)3-12-4-13-7/h3-5,8-9,14H,1-2H2/t5-,8-/m1/s1
InChIKeyNNJXXNSFHZCGDR-SVGQVSJJSA-N
XLogP1.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
The IUPAC name of (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol (CID 99986191) is (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol.
What is the SMILES notation for (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
The canonical SMILES for (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol is O[C@@H]1C[C@H](C(F)F)Cc2ncncc21.
What is the InChIKey of (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
The InChIKey is NNJXXNSFHZCGDR-SVGQVSJJSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-9(11)5-1-7-6(8(14)2-5)3-12-4-13-7/h3-5,8-9,14H,1-2H2/t5-,8-/m1/s1.
What are the key properties of (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
(5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol has a molecular weight of 200.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-(difluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol is sourced from PubChem (CID 99986191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).